Preview

am_Al2O3
- am_Al2O3_stress.yaml
  
  22.1 kB
- in_run_potential_test.lmp
  
  878 Bytes
- incar.mdq
  
  1.2 kB
- includes
  - potential_SM.lmp
    
    806 Bytes
  - potential_alvarez.lmp
    
    834 Bytes
  - potential_comb3.lmp
    
    378 Bytes
  - potential_jakse.lmp
    
    690 Bytes
  - potential_matsui.lmp
    
    856 Bytes
  - potential_nequip.lmp
    
    201 Bytes
  - potential_reaxff.lmp
    
    406 Bytes
  - potential_smtbq.lmp
    
    483 Bytes
  - potential_vashishta.lmp
    
    292 Bytes
- potential_files
  - AlO.eam.alloy
    
    170.7 kB
  - AlO.streitz
    
    455 Bytes
  - AlO.vashishta
    
    1.7 kB
  - alvarez_table.txt
    
    552.7 kB
  - default.pth
    
    2.1 MB
  - eam_db.tdb
    
    1.5 kB
  - ffield.comb3
    
    3.3 MB
  - ffield.reax
    
    3.3 kB
  - ffield.smtbq.Al2O3
    
    2.9 kB
  - matsui_table.txt
    
    754.9 kB
  - num_base_11.pth
    
    2.1 MB
  - num_layers_1.pth
    
    282.4 kB
  - num_layers_8.pth
    
    4.7 MB
- structures
  - test.xyz
    
    3.3 MB
  - test_perfect.xyz
    
    2.2 MB
  - train.xyz
    
    3.3 MB
  - validation.xyz
    
    1.5 MB